2-methyl-5-[(1-methylpyridin-1-ium-3-yl)amino]phenol; methyl sulfate

Systemtic Name: 2-methyl-5-[(1-methylpyridin-1-ium-3-yl)amino]phenol; methyl sulfate Openeye Name: 2-methyl-5-[(1-methylpyridin-1-ium-3-yl)amino]phenol; methyl sulfate CAS Name: 2-methyl-5-[(1-methyl-3-pyridin-1-iumyl)amino]phenol; methyl sulfate IUPAC Name: 2-methyl-5-[(1-methylpyridin-1-ium-3-yl)amino]phenol; methyl sulfate Traditional Name: 2-methyl-5-[(1-methylpyridin-1-ium-3-yl)amino]phenol; methyl sulfate Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C[N+](=CC=C2)C)O.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C[N+](=CC=C2)C)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H14N2O.CH4O4S/c1-10-5-6-11(8-13(10)16)14-12-4-3-7-15(2)9-12;1-5-6(2,3)4/h3-9,14H,1-2H3;1H3,(H,2,3,4)